SCHEMBL7409184

SCHEMBL7409184

CSc1ccccc1OCCNCC(O)Cc1ccc(O)c2c1[nH]c1ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.49
DRD2 P14416 4/20 0.49
ADRB1 P08588 3/20 0.49
TLR4 O00206 2/20 0.49
MAPT P10636 2/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
KCNK2 O95069 1/20 0.49
ABCB11 O95342 1/20 0.49
APP P05067 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7410151 0.89 ADRB2 (0.51) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7411916 0.88 ADRB2 (0.63) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7410117 0.88 ADRB2 (0.51) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7411213 0.88 ADRB2 (0.53) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7412052 0.86 ADRB2 (0.48) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7406337 0.86 ADRB2 (0.51) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7407189 0.85 ADRB2 (0.49) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7410037 0.85 TLR4 (0.58) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7413321 0.84 ADRB2 (0.48) ADRB2DRD2ADRB1TLR4MAPT
SCHEMBL7412334 0.83 ADRB2 (0.54) ADRB2DRD2ADRB1TLR4MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503067-A HYPOTENSIVE, ANGINA PECTORIS BOEHRINGER MANNHEIM GMBH (DE) 1985-03-05 US disclosed
EP-0004920-B1 DERIVATIVES OF CARBAZOLYL-4-OXYPROPANOLAMINE, METHODS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1981-08-05 EP disclosed
EP-0004920-A1 Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1979-10-31 EP disclosed